52933

Source:http://linkedlifedata.com/resource/chembl/compound/52933

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:4464
chemicalCompound:standardIn...	InChI=1S/C15H16N4O5S.K/c1-2-3-8-19-14(20)11-13(18-15(19)21)17-12(16-11)9-4-6-10(7-5-9)25(22,23)24;/h4-7H,2-3,8H2,1H3,(H,16,17)(H,18,21)(H,22,23,24);/q;+1/p-1
chemicalCompound:standardIn...	JBKCEFFDCPFTNX-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[K+].CCCCN1C(=O)Nc2[nH]c(nc2C1=O)c3ccc(cc3)S(=O)(=O)[O-]
chemicalCompound:molecularF...	C15 H15 N4 O5 S . K
chemicalCompound:moleculeId	52933
chemicalCompound:mwFreebase	364.376
chemicalCompound:alogp	1.797
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	140.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.59
chemicalCompound:acdLogP	0.129
chemicalCompound:acdLogD	-3.483
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	402.467
chemicalCompound:chemblId	CHEMBL36952
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152933
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:824659, activity:824660, activity:824661, activity:824662, activity:824663, activity:824664, activity:824665